CAS: 214124-83-1
이름: 1-(4-nitrophenyl)-1,4-diazepane
SMILES:
C1CNCCN(C1)C2=CC=C(C=C2)[N+](=O)[O-]Molecular Processing
Molecular formula
C11H15N3O2
Molecular weight
221.26
Exact mass
221.1164
XLogP
1.39
TPSA
58.41
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.8
Supplementary Information
InChIKey: LIQIZDGKPDHEPC-UHFFFAOYSA-N
동의어
1-(4-nitrophenyl)-1,4-diazepane214124-83-1MFCD004480011H-1,4-Diazepine,hexahydro-1-(4-nitrophenyl)-SCHEMBL942183DTXSID80407851LIQIZDGKPDHEPC-UHFFFAOYSA-N1-(4-nitrophenyl)[1,4]diazepaneAKOS0001613311-(4-Nitro-phenyl)-[1,4]diazepane1-(4-nitrophenyl)-1,4-diazaperhydroepineST50985951EN300-235842hexahydro-1-(4-nitrophenyl)-1H-1,4-diazepineAG-205/07859053F2158-1106
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